RIT-D-2214 (CHEBI:208496)

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CHEBI:208496 - RIT-D-2214

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ChEBI ID	CHEBI:208496
ChEBI Name	RIT-D-2214
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H19N3O6S2
Net Charge	0
Average Mass	377.444
Monoisotopic Mass	377.07153
SMILES	CC1(C)SC2C(NC(=O)CSCC(N)C(=O)O)C(=O)N2C1C(=O)O
InChI	InChI=1S/C13H19N3O6S2/c1-13(2)8(12(21)22)16-9(18)7(10(16)24-13)15-6(17)4-23-3-5(14)11(19)20/h5,7-8,10H,3-4,14H2,1-2H3,(H,15,17)(H,19,20)(H,21,22)
InChIKey	QDOGMOKSFVXEIZ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Hapsidospora chrysogena (ncbitaxon:5044)	-	PubMed (1034629)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	RIT-D-2214 (CHEBI:208496) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
6-[[2-(2-amino-2-carboxyethyl)sulanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Manual Xrefs	Databases
15503864	ChemSpider